2-(5-fluoro-2-methylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C14H16FN3O — CID 55067620

IUPAC2-(5-fluoro-2-methylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(-c2cc(F)ccc2C)n1
InChIInChI=1S/C14H16FN3O/c1-9-4-5-10(15)6-12(9)14-17-11(8-19-3)7-13(16-2)18-14/h4-7H,8H2,1-3H3,(H,16,17,18)
InChIKeyFQFSNPQAQUYQLR-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.78
Rot. Bonds4

About 2-(5-fluoro-2-methylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

2-(5-fluoro-2-methylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 55067620) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID55067620
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-(5-fluoro-2-methylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(-c2cc(F)ccc2C)n1
InChIInChI=1S/C14H16FN3O/c1-9-4-5-10(15)6-12(9)14-17-11(8-19-3)7-13(16-2)18-14/h4-7H,8H2,1-3H3,(H,16,17,18)
InChIKeyFQFSNPQAQUYQLR-UHFFFAOYSA-N
XLogP2.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 55067620) is 2-(5-fluoro-2-methylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1cc(COC)nc(-c2cc(F)ccc2C)n1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is FQFSNPQAQUYQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9-4-5-10(15)6-12(9)14-17-11(8-19-3)7-13(16-2)18-14/h4-7H,8H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(5-fluoro-2-methylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
2-(5-fluoro-2-methylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 261.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 55067620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).